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- ChemComp-F26: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethy... -

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Basic information

EntryDatabase: PDB chemical components / ID: F26
NameName: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene

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Chemical information

Composition
Formula: C40H52 / Number of atoms: 92 / Formula weight: 532.841 / Formal charge: 0
Others

6m32

Type: non-polymer / PDB classification: HETAIN / Three letter code: F26 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M32
History
Create componentMar 17, 2020
Modify atom idMar 18, 2020
Initial releaseNov 25, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCCC(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C

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InChI

InChI 1.03InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+

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InChIKey

InChI 1.03VJASLAGEYVTOGS-IQAIWTHGSA-N

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PDB entries

Showing all 4 items

PDB-6m32:
Cryo-EM structure of FMO-RC complex from green sulfur bacteria

PDB-7uea:
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)

PDB-7ueb:
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)

PDB-8gwa:
Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium

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